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经验公式(希尔记法):
C15H22O2
化学文摘社编号:
分子量:
234.33
FEMA Number:
2736
Council of Europe no.:
2086
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.484
EC Number:
233-092-8
NACRES:
NA.21
MDL number:
Organoleptic:
floral; fruity; sweet
Grade:
FG
Fragrance grade
Halal
Kosher
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
meets purity specifications of JECFA
Food allergen:
no known allergens
产品名称
Phenyl ethyl dimethyl carbinyl isobutyrate, ≥97%, FG
SMILES string
CC(C)(OC(C(C)C)=O)CCC1=CC=CC=C1
InChI key
WCEXWNUHYPYHDN-UHFFFAOYSA-N
InChI
1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
biological source
synthetic
grade
FG
Fragrance grade
Halal
Kosher
agency
follows IFRA guidelines
meets purity specifications of JECFA
reg. compliance
EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 172.515
assay
≥97%
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
fragrance allergen
no known allergens
organoleptic
floral; fruity; sweet
Quality Level
General description
Phenyl ethyl dimethyl carbinyl isobutyrate is an aryl alkyl alcohol simple acid ester. It is also referred to as 2-methyl-4-phenyl-2-butyl isobutyrate. Vapor pressure of phenyl ethyl dimethyl carbinyl isobutyrate is 0.00187mmHg at 25°C. Safety and dermatological assessment of phenyl ethyl dimethyl carbinyl isobutyrate have been reported.
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
D Belsito et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50 Suppl 2, S269-S313 (2012-03-13)
The aryl alkyl alcohol simple acid ester derivatives (AAASAE) group of fragrance ingredients was critically evaluated for safety following a complete literature search of the pertinent data. For high end users, calculated maximum skin exposures vary widely from 0.01% to
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